CID 5662

Vesamicol

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
InChIKey
YSSBJODGIYRAMI-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

289
References

540
Patents

259.1936 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.0
[M+Na]+ 282.18282 165.7
[M-H]- 258.18632 168.9
[M+NH4]+ 277.22742 177.7
[M+K]+ 298.15676 161.1
[M+H-H2O]+ 242.19086 154.6
[M+HCOO]- 304.19180 177.3
[M+CH3COO]- 318.20745 172.6
[M+Na-2H]- 280.16827 164.8
[M]+ 259.19305 153.6
[M]- 259.19415 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.